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NCID-ZINC01644122

 MMsINC code: MMs02285373
Type: Neutral
Formula: C26H35NO
SMILES:   OC(CN(CCC(C)C)CCC(C)C)c1cc2c3c(ccc2cc1)cccc3
InChI:   InChI=1/C26H35NO/c1-19(2)13-15-27(16-14-20(3)4)18-26(28)23-12-11-22-10-9-21-7-5-6-8-24(21)25(22)17-23/h5-12,17,19-20,26,28H,13-16,18H2,1-4H3/t26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.572 g/mol  logS: -7.92839  SlogP: 6.5161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666593  Sterimol/B1: 2.62312  Sterimol/B2: 4.232  Sterimol/B3: 5.29164
  Sterimol/B4: 8.63789  Sterimol/L: 17.4976 
 
 Surface and Volume Properties
  Accessible surface: 716.9  Positive charged surface: 452.518  Negative charged surface: 243.325  Volume: 415.75
  Hydrophobic surface: 603.427  Hydrophilic surface: 113.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02285374
NCID-ZINC01644122